#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1y s LYS 1 N 0.00 4.27 -0.02 2.12 2.47 -0.19 -4.95 119.74 123.45 1x1y s LYS 1 Ca 0.00 1.97 0.04 0.00 -1.56 0.00 0.00 55.97 56.42 1x1y s LYS 1 Cb 0.00 -2.92 -0.01 0.00 -1.46 0.00 0.00 37.83 33.44 1x1y s LYS 1 CO 0.00 -0.17 -0.15 0.21 0.16 0.00 0.00 175.35 175.40 1x1y s LYS 2 N -1.95 1.24 -0.02 4.03 2.47 -1.26 -1.42 119.74 122.83 1x1y s LYS 2 Ca 0.52 -0.52 0.01 0.00 -1.56 0.00 0.00 55.97 54.41 1x1y s LYS 2 Cb -0.34 -1.19 0.01 0.00 -1.46 0.00 0.00 37.83 34.86 1x1y s LYS 2 CO 0.44 0.30 -0.03 0.00 0.16 0.00 0.00 175.35 176.22 1x1y s ALA 3 N -0.28 0.41 -0.06 3.13 0.00 0.29 -4.86 121.76 120.39 1x1y s ALA 3 Ca 0.04 -0.03 0.05 0.00 0.00 0.00 0.00 51.96 52.02 1x1y s ALA 3 Cb -0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 23.12 22.81 1x1y s ALA 3 CO -0.00 0.01 -0.20 0.08 0.00 0.00 0.00 175.76 175.65 1x1y s VAL 4 N 0.51 1.69 -0.18 0.00 1.01 -1.26 -0.07 120.40 122.10 1x1y s VAL 4 Ca -0.06 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1x1y s VAL 4 Cb -0.09 -1.45 0.03 0.00 0.00 0.00 0.00 36.38 34.87 1x1y s VAL 4 CO -0.01 0.48 -0.15 -0.63 0.00 0.00 0.00 175.10 174.79 1x1y s ILE 5 N 0.05 1.85 -0.90 2.22 1.01 -0.14 -4.97 121.20 120.32 1x1y s ILE 5 Ca -0.06 -0.94 -0.17 0.00 0.00 0.00 0.00 60.65 59.48 1x1y s ILE 5 Cb -0.13 -1.76 0.16 0.00 0.01 0.00 0.00 42.46 40.73 1x1y s ILE 5 CO 0.04 0.38 1.02 0.20 0.00 0.00 0.00 174.94 176.58 1x1y s ASN 6 N 1.35 6.67 0.33 3.58 0.02 -1.26 -0.53 114.94 125.10 1x1y s ASN 6 Ca 0.02 -2.23 0.12 0.00 -1.02 0.00 0.00 52.86 49.75 1x1y s ASN 6 Cb -0.14 -2.34 1.02 0.00 0.02 0.00 0.00 41.25 39.80 1x1y s ASN 6 CO -0.11 -0.92 1.64 1.23 0.02 0.00 0.00 177.10 178.97 1x1y h GLY 7 N 9.64 1.89 1.98 0.66 0.00 -0.95 0.15 103.07 116.44 1x1y h GLY 7 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1x1y h GLY 7 CO 1.00 -0.51 0.00 -1.84 0.00 0.00 0.00 176.54 175.19 1x1y n GLU 8 N -5.15 0.01 0.00 4.80 0.00 -1.26 -1.79 120.64 117.25 1x1y n GLU 8 Ca 0.30 0.31 0.10 0.00 0.00 0.00 0.00 57.16 57.87 1x1y n GLU 8 Cb 0.94 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 30.77 1x1y n GLU 8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1x1y n GLN 9 N -1.49 0.14 -2.60 3.44 6.02 0.53 -4.89 117.38 118.53 1x1y n GLN 9 Ca 0.03 -0.08 -0.43 0.00 -0.01 0.00 0.00 57.00 56.50 1x1y n GLN 9 Cb 0.13 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.87 1x1y n GLN 9 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1x1y s ILE 10 N -2.95 4.48 -1.06 5.09 -1.09 -0.74 -4.89 121.20 120.04 1x1y s ILE 10 Ca 0.09 1.73 0.12 0.00 -2.23 0.00 0.00 60.65 60.35 1x1y s ILE 10 Cb 0.16 -4.33 0.30 0.00 -1.58 0.00 0.00 42.46 37.01 1x1y s ILE 10 CO 0.84 -0.39 1.22 0.54 -1.23 0.00 0.00 174.94 175.92 1x1y n ARG 11 N 6.79 2.58 -3.61 2.79 1.74 -1.26 -4.73 116.66 120.97 1x1y n ARG 11 Ca 0.12 -1.98 -0.00 0.00 -0.77 0.00 0.00 57.85 55.22 1x1y n ARG 11 Cb 0.47 -1.28 -0.01 0.00 -1.02 0.00 0.00 32.46 30.61 1x1y n ARG 11 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1x1y s SER 12 N -1.00 -0.04 0.29 0.55 1.04 -1.22 -4.86 113.70 108.46 1x1y s SER 12 Ca 0.23 -0.03 -0.01 0.00 0.48 0.00 0.00 55.95 56.63 1x1y s SER 12 Cb 0.13 0.06 0.44 0.00 0.10 0.00 0.00 66.02 66.75 1x1y s SER 12 CO 0.17 -0.11 1.88 -0.29 0.98 0.00 0.00 173.24 175.87 1x1y h ILE 13 N 2.00 1.21 0.00 -1.02 6.09 -1.85 -0.49 117.51 123.45 1x1y h ILE 13 Ca -0.17 -0.65 -0.06 0.00 -1.37 0.00 0.00 64.86 62.61 1x1y h ILE 13 Cb 1.16 0.46 -0.01 0.00 0.47 0.00 0.00 36.82 38.91 1x1y h ILE 13 CO 0.24 0.26 -0.30 0.77 -3.07 0.00 0.00 178.15 176.05 1x1y h SER 14 N 0.88 0.00 -0.38 2.19 4.64 -1.95 -1.37 113.55 117.56 1x1y h SER 14 Ca 0.21 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.40 1x1y h SER 14 Cb 0.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1x1y h SER 14 CO -0.02 0.30 -0.27 -0.78 -0.87 0.00 0.00 176.83 175.19 1x1y h ASP 15 N 0.00 0.90 -0.47 4.97 3.58 -1.51 -1.54 116.42 122.34 1x1y h ASP 15 Ca -0.00 -0.43 -0.06 0.00 0.42 0.00 0.00 57.03 56.95 1x1y h ASP 15 Cb 0.74 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 1x1y h ASP 15 CO 0.04 1.14 0.06 0.25 -2.88 0.00 0.00 179.24 177.85 1x1y h LEU 16 N 0.66 0.76 -0.70 2.28 5.85 -0.51 -2.04 115.31 121.61 1x1y h LEU 16 Ca 0.07 -0.27 -0.12 0.00 0.84 0.00 0.00 57.88 58.41 1x1y h LEU 16 Cb 0.84 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1x1y h LEU 16 CO 0.07 0.84 -0.23 0.45 -0.34 0.00 0.00 178.44 179.23 1x1y h HIS 17 N 0.66 0.86 -0.19 1.25 3.86 -1.19 -1.37 115.15 119.03 1x1y h HIS 17 Ca 0.14 -0.20 -0.10 0.00 -1.16 0.00 0.00 60.37 59.05 1x1y h HIS 17 Cb 0.41 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 1x1y h HIS 17 CO 0.03 0.92 -0.31 1.96 0.86 0.00 0.00 177.93 181.38 1x1y h GLN 18 N 0.66 0.38 -0.25 2.45 4.20 -1.20 0.04 115.11 121.39 1x1y h GLN 18 Ca 0.09 -0.15 -0.08 0.00 0.06 0.00 0.00 58.65 58.56 1x1y h GLN 18 Cb 0.74 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 1x1y h GLN 18 CO 0.06 0.66 -0.16 1.15 -0.67 0.00 0.00 178.83 179.86 1x1y h THR 19 N 0.33 1.31 -0.40 -0.54 2.02 -1.08 -2.59 112.91 111.95 1x1y h THR 19 Ca 0.04 -1.28 -0.08 0.00 0.77 0.00 0.00 66.41 65.87 1x1y h THR 19 Cb 0.72 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 1x1y h THR 19 CO 0.05 0.40 -0.06 -0.07 0.37 0.00 0.00 175.52 176.21 1x1y h LEU 20 N 0.28 0.65 -0.57 2.58 3.38 -1.04 -0.33 115.31 120.26 1x1y h LEU 20 Ca 0.05 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.88 1x1y h LEU 20 Cb 0.69 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1x1y h LEU 20 CO 0.04 0.77 0.35 0.50 0.09 0.00 0.00 178.44 180.19 1x1y h LYS 21 N 0.63 0.67 0.39 1.13 3.64 -0.87 -0.25 116.57 121.91 1x1y h LYS 21 Ca 0.12 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1x1y h LYS 21 Cb 0.49 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1x1y h LYS 21 CO 0.03 0.45 -0.19 -0.22 -2.27 0.00 0.00 179.45 177.24 1x1y h LYS 22 N 0.69 -0.51 -0.39 1.90 1.63 -1.11 -0.76 116.57 118.03 1x1y h LYS 22 Ca 0.23 0.03 0.11 0.00 -0.85 0.00 0.00 60.65 60.17 1x1y h LYS 22 Cb 0.01 0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.74 1x1y h LYS 22 CO -0.10 -0.23 0.28 0.93 -3.45 0.00 0.00 179.45 176.89 1x1y h GLU 23 N -1.04 0.03 -0.44 1.90 4.39 -1.04 -2.25 114.58 116.13 1x1y h GLU 23 Ca -0.05 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1x1y h GLU 23 Cb 0.51 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1x1y h GLU 23 CO 0.09 0.02 0.00 1.28 -1.16 0.00 0.00 179.01 179.24 1x1y n LEU 24 N -4.43 3.28 -3.94 1.33 4.77 -0.11 -4.60 117.00 113.31 1x1y n LEU 24 Ca 0.06 -2.07 -0.26 0.00 -0.03 0.00 0.00 56.01 53.71 1x1y n LEU 24 Cb 0.45 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1x1y n LEU 24 CO 0.36 0.79 -0.22 0.00 -1.33 0.00 0.00 177.39 176.98 1x1y n ALA 25 N 0.73 -2.07 -1.45 -1.18 0.00 -0.85 -4.79 120.51 110.91 1x1y n ALA 25 Ca 0.16 -0.28 -0.31 0.00 0.00 0.00 0.00 53.44 53.01 1x1y n ALA 25 Cb 0.51 -1.69 0.06 0.00 0.00 0.00 0.00 19.45 18.34 1x1y n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x1y s LEU 26 N -6.94 3.17 0.63 0.00 1.43 -0.33 -4.95 118.68 111.69 1x1y s LEU 26 Ca 0.05 1.77 -0.18 0.00 -1.03 0.00 0.00 54.13 54.74 1x1y s LEU 26 Cb -0.02 -4.52 -0.03 0.00 0.03 0.00 0.00 46.19 41.65 1x1y s LEU 26 CO 0.89 -1.68 1.04 -0.81 0.23 0.00 0.00 176.35 176.02 1x1y n PRO 27 N -3.07 0.89 0.27 1.29 -0.04 -1.26 -4.87 135.00 128.20 1x1y n PRO 27 Ca 0.09 0.35 0.12 0.00 -0.04 0.00 0.00 63.50 64.01 1x1y n PRO 27 Cb 0.53 -2.26 0.75 0.00 -0.04 0.00 0.00 33.50 32.48 1x1y n PRO 27 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1x1y h GLU 28 N 0.38 0.00 -0.10 0.54 4.57 -1.99 -0.81 114.58 117.17 1x1y h GLU 28 Ca -0.49 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1x1y h GLU 28 Cb 1.36 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.95 1x1y h GLU 28 CO 0.51 0.07 0.00 2.48 -1.18 0.00 0.00 179.01 180.89 1x1y n TYR 29 N -3.96 0.12 -1.45 0.92 0.18 -1.26 -4.95 117.16 106.76 1x1y n TYR 29 Ca -0.03 -0.06 -0.57 0.00 1.88 0.00 0.00 57.90 59.13 1x1y n TYR 29 Cb 0.16 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.04 1x1y n TYR 29 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 1x1y n TYR 30 N -0.15 1.26 0.40 -3.48 9.36 -0.31 -4.83 117.16 119.40 1x1y n TYR 30 Ca 0.15 0.97 0.13 0.00 3.32 0.00 0.00 57.90 62.47 1x1y n TYR 30 Cb 0.21 -1.90 0.50 0.00 -0.63 0.00 0.00 39.34 37.53 1x1y n TYR 30 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1x1y h GLY 31 N 3.85 0.00 -5.91 2.98 0.00 -1.90 -3.47 103.07 98.62 1x1y h GLY 31 Ca -0.40 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.56 1x1y h GLY 31 CO 0.77 0.00 -0.83 1.18 0.00 0.00 0.00 176.54 177.66 1x1y n GLU 32 N -2.34 -4.75 -3.97 4.80 1.02 -1.26 -4.99 120.64 109.15 1x1y n GLU 32 Ca 0.02 0.69 -0.09 0.00 -0.02 0.00 0.00 57.16 57.76 1x1y n GLU 32 Cb 0.26 -5.35 -0.04 0.00 -0.02 0.00 0.00 31.44 26.29 1x1y n GLU 32 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1x1y s ASN 33 N -4.18 0.00 0.20 1.62 2.20 -1.26 -5.01 114.94 108.52 1x1y s ASN 33 Ca 0.09 -0.96 -0.09 0.00 -0.94 0.00 0.00 52.86 50.96 1x1y s ASN 33 Cb -0.02 0.64 0.12 0.00 -2.00 0.00 0.00 41.25 39.99 1x1y s ASN 33 CO 0.79 -1.24 1.73 -0.07 -2.94 0.00 0.00 177.10 175.38 1x1y h LEU 34 N 2.18 1.07 -0.78 3.54 3.38 -1.98 -1.33 115.31 121.39 1x1y h LEU 34 Ca -0.26 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.45 1x1y h LEU 34 Cb 1.25 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 1x1y h LEU 34 CO 0.34 0.99 0.30 0.00 0.09 0.00 0.00 178.44 180.17 1x1y h ALA 35 N 1.11 1.02 -0.62 1.53 0.00 -1.99 0.05 119.26 120.36 1x1y h ALA 35 Ca 0.23 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1x1y h ALA 35 Cb 0.31 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1x1y h ALA 35 CO -0.01 0.65 0.04 0.00 0.00 0.00 0.00 179.25 179.93 1x1y h ALA 36 N 1.16 0.83 -0.40 0.00 0.00 -1.89 -1.01 119.26 117.94 1x1y h ALA 36 Ca 0.26 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1x1y h ALA 36 Cb 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1x1y h ALA 36 CO -0.02 0.64 0.01 1.25 0.00 0.00 0.00 179.25 181.13 1x1y h LEU 37 N 0.97 0.68 -0.63 0.00 5.85 -0.87 0.27 115.31 121.59 1x1y h LEU 37 Ca 0.18 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1x1y h LEU 37 Cb 0.52 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1x1y h LEU 37 CO 0.02 0.82 0.34 -0.25 -0.34 0.00 0.00 178.44 179.03 1x1y h TRP 38 N 0.52 0.86 -0.46 1.25 2.91 -0.85 -0.21 115.95 119.98 1x1y h TRP 38 Ca 0.11 -0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.09 1x1y h TRP 38 Cb 0.46 -0.28 -0.02 0.00 -0.51 0.00 0.00 29.16 28.82 1x1y h TRP 38 CO 0.04 0.62 0.22 0.22 -1.03 0.00 0.00 178.44 178.50 1x1y h ASP 39 N 0.85 0.61 -0.56 2.65 3.58 -0.96 -1.56 116.42 121.02 1x1y h ASP 39 Ca 0.22 -0.13 -0.10 0.00 0.42 0.00 0.00 57.03 57.44 1x1y h ASP 39 Cb 0.04 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 1x1y h ASP 39 CO -0.04 0.58 -0.02 0.00 -2.88 0.00 0.00 179.24 176.88 1x1y h ALA 40 N 1.06 0.76 -0.01 -0.78 0.00 -0.64 0.11 119.26 119.77 1x1y h ALA 40 Ca 0.16 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1x1y h ALA 40 Cb 0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1x1y h ALA 40 CO -0.02 0.61 -0.43 -0.07 0.00 0.00 0.00 179.25 179.34 1x1y h LEU 41 N 0.90 0.01 -1.70 0.00 3.38 -0.86 0.11 115.31 117.14 1x1y h LEU 41 Ca 0.16 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1x1y h LEU 41 Cb 0.57 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1x1y h LEU 41 CO 0.03 0.44 -0.01 0.35 0.09 0.00 0.00 178.44 179.35 1x1y n THR 42 N -4.03 0.00 -2.26 0.22 -2.24 -0.60 -4.62 114.28 100.75 1x1y n THR 42 Ca -0.02 -0.50 -0.04 0.00 -2.27 0.00 0.00 64.05 61.23 1x1y n THR 42 Cb 0.46 1.38 -0.01 0.00 -2.10 0.00 0.00 70.33 70.06 1x1y n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x1y n GLY 43 N 1.05 0.97 2.18 3.38 0.00 0.35 -5.01 105.19 108.11 1x1y n GLY 43 Ca 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1x1y n GLY 43 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1x1y n TRP 44 N -0.29 -4.48 -1.57 1.61 -0.00 -0.84 -4.86 117.44 107.01 1x1y n TRP 44 Ca -0.19 1.43 -0.40 0.00 -0.00 0.00 0.00 57.50 58.35 1x1y n TRP 44 Cb 0.81 3.63 0.03 0.00 -0.00 0.00 0.00 31.31 35.77 1x1y n TRP 44 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1x1y n VAL 45 N -3.34 2.70 -3.35 5.87 0.31 0.31 -5.00 118.33 115.84 1x1y n VAL 45 Ca 0.00 -0.50 -0.33 0.00 -0.01 0.00 0.00 64.34 63.50 1x1y n VAL 45 Cb 0.00 -1.00 -0.06 0.00 -0.91 0.00 0.00 33.84 31.87 1x1y n VAL 45 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1x1y s GLU 46 N -2.20 3.90 0.20 5.55 2.12 -1.26 -4.97 118.70 122.04 1x1y s GLU 46 Ca 0.68 0.42 0.04 0.00 0.36 0.00 0.00 54.97 56.47 1x1y s GLU 46 Cb -0.50 -2.71 -0.05 0.00 0.26 0.00 0.00 34.13 31.13 1x1y s GLU 46 CO 0.54 0.35 -0.05 0.71 -0.54 0.00 0.00 175.26 176.26 1x1y s TYR 47 N -1.72 1.48 0.87 5.30 2.02 -1.26 -4.48 117.35 119.56 1x1y s TYR 47 Ca 0.45 -0.83 -0.11 0.00 -0.37 0.00 0.00 57.07 56.22 1x1y s TYR 47 Cb -0.12 -0.81 0.11 0.00 -0.40 0.00 0.00 41.96 40.74 1x1y s TYR 47 CO 0.20 0.05 1.11 -2.14 -1.57 0.00 0.00 175.55 173.20 1x1y s PRO 48 N -3.80 1.47 0.00 -1.71 0.02 -1.26 -4.49 135.00 125.22 1x1y s PRO 48 Ca 0.24 1.26 0.02 0.00 0.02 0.00 0.00 61.00 62.54 1x1y s PRO 48 Cb 0.04 -1.80 -0.01 0.00 0.02 0.00 0.00 34.50 32.75 1x1y s PRO 48 CO 0.06 -2.23 -0.07 -1.17 -0.33 0.00 0.00 177.00 173.27 1x1y s LEU 49 N -6.30 2.04 -0.16 -5.54 2.96 -0.46 -1.02 118.68 110.18 1x1y s LEU 49 Ca 0.64 -0.16 0.00 0.00 -0.22 0.00 0.00 54.13 54.40 1x1y s LEU 49 Cb -0.20 -0.31 0.03 0.00 0.50 0.00 0.00 46.19 46.20 1x1y s LEU 49 CO 0.57 0.05 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.83 1x1y s VAL 50 N -0.26 1.63 -0.27 1.68 1.01 -0.51 -0.55 120.40 123.12 1x1y s VAL 50 Ca 0.01 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 1x1y s VAL 50 Cb -0.03 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 1x1y s VAL 50 CO -0.00 0.41 0.07 -0.22 0.00 0.00 0.00 175.10 175.36 1x1y s LEU 51 N 1.45 3.62 -0.42 3.92 2.96 0.24 -0.55 118.68 129.90 1x1y s LEU 51 Ca 0.04 -0.49 -0.10 0.00 -0.22 0.00 0.00 54.13 53.36 1x1y s LEU 51 Cb -0.13 -1.89 0.07 0.00 0.50 0.00 0.00 46.19 44.74 1x1y s LEU 51 CO -0.10 -0.12 0.27 -0.70 -1.32 0.00 0.00 176.35 174.37 1x1y s GLU 52 N 1.54 2.66 -0.47 1.98 2.12 0.90 -0.21 118.70 127.23 1x1y s GLU 52 Ca 0.04 -1.41 -0.14 0.00 0.36 0.00 0.00 54.97 53.82 1x1y s GLU 52 Cb -0.16 -3.81 0.09 0.00 0.26 0.00 0.00 34.13 30.51 1x1y s GLU 52 CO 0.02 -0.94 0.38 -0.46 -0.54 0.00 0.00 175.26 173.73 1x1y s TRP 53 N 1.46 3.28 0.34 5.30 -0.11 0.64 -0.97 118.94 128.88 1x1y s TRP 53 Ca 0.03 -1.17 -0.05 0.00 1.22 0.00 0.00 56.10 56.13 1x1y s TRP 53 Cb -0.23 -3.24 -0.05 0.00 -1.50 0.00 0.00 33.47 28.45 1x1y s TRP 53 CO 0.03 -0.86 0.62 1.03 -4.62 0.00 0.00 176.95 173.15 1x1y s ARG 54 N 1.57 3.63 -1.48 5.86 0.52 0.31 -1.65 118.95 127.71 1x1y s ARG 54 Ca 0.04 0.06 -0.01 0.00 -0.52 0.00 0.00 55.73 55.30 1x1y s ARG 54 Cb -0.25 -2.57 0.01 0.00 0.52 0.00 0.00 34.95 32.65 1x1y s ARG 54 CO 0.05 0.11 0.23 1.04 0.02 0.00 0.00 175.30 176.75 1x1y n GLN 55 N -1.27 -2.17 0.06 3.54 1.13 -1.12 -0.49 117.38 117.06 1x1y n GLN 55 Ca -0.01 0.26 -0.12 0.00 -1.94 0.00 0.00 57.00 55.19 1x1y n GLN 55 Cb 0.54 -4.11 -0.05 0.00 0.11 0.00 0.00 30.24 26.74 1x1y n GLN 55 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 1x1y h PHE 56 N -1.79 -0.71 -0.78 1.08 3.57 -1.75 -2.39 116.94 114.17 1x1y h PHE 56 Ca -0.64 0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.03 1x1y h PHE 56 Cb 1.39 0.31 -0.10 0.00 2.79 0.00 0.00 35.95 40.34 1x1y h PHE 56 CO 0.51 -0.36 0.32 0.93 -2.23 0.00 0.00 178.31 177.48 1x1y h GLU 57 N -0.41 0.44 -0.96 1.11 4.39 -1.89 0.12 114.58 117.38 1x1y h GLU 57 Ca 0.06 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.74 1x1y h GLU 57 Cb 0.49 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.99 1x1y h GLU 57 CO -0.22 0.29 0.64 1.96 -1.16 0.00 0.00 179.01 180.52 1x1y h GLN 58 N 0.46 1.27 0.00 2.33 4.20 -1.77 -1.28 115.11 120.31 1x1y h GLN 58 Ca 0.43 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.97 1x1y h GLN 58 Cb 0.67 -0.29 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1x1y h GLN 58 CO -0.41 0.84 -0.45 0.66 -0.67 0.00 0.00 178.83 178.79 1x1y h SER 59 N 1.30 0.00 0.06 1.46 4.64 -0.53 -2.76 113.55 117.73 1x1y h SER 59 Ca 0.35 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.58 1x1y h SER 59 Cb -0.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 1x1y h SER 59 CO -0.08 0.45 -0.31 0.50 -0.87 0.00 0.00 176.83 176.52 1x1y h LYS 60 N 0.00 0.37 -0.16 4.77 3.64 0.24 -2.47 116.57 122.97 1x1y h LYS 60 Ca -0.00 -0.15 -0.22 0.00 -1.27 0.00 0.00 60.65 59.01 1x1y h LYS 60 Cb 0.94 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.76 1x1y h LYS 60 CO 0.06 0.65 -0.76 1.96 -2.27 0.00 0.00 179.45 179.08 1x1y h GLN 61 N 0.32 0.77 -0.10 1.90 4.20 -1.06 -1.96 115.11 119.18 1x1y h GLN 61 Ca 0.04 -0.62 0.00 0.00 0.06 0.00 0.00 58.65 58.14 1x1y h GLN 61 Cb 0.71 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.61 1x1y h GLN 61 CO 0.05 1.23 0.00 1.28 -0.67 0.00 0.00 178.83 180.72 1x1y n LEU 62 N -3.93 1.11 0.00 1.46 4.77 -1.09 -3.56 117.00 115.75 1x1y n LEU 62 Ca -0.07 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 1x1y n LEU 62 Cb 0.74 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 1x1y n LEU 62 CO 0.52 0.23 0.27 0.35 -1.33 0.00 0.00 177.39 177.43 1x1y n THR 63 N -0.06 0.24 -3.47 -5.08 -2.24 -0.94 -3.39 114.28 99.35 1x1y n THR 63 Ca 0.16 -0.52 -0.23 0.00 -2.27 0.00 0.00 64.05 61.19 1x1y n THR 63 Cb 0.25 1.02 0.06 0.00 -2.10 0.00 0.00 70.33 69.56 1x1y n THR 63 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x1y n GLU 64 N -0.12 -1.70 -0.15 -0.78 1.02 -1.04 -1.67 120.64 116.19 1x1y n GLU 64 Ca 0.00 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 1x1y n GLU 64 Cb 0.13 -4.95 0.00 0.00 -0.02 0.00 0.00 31.44 26.60 1x1y n GLU 64 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1x1y n ASN 65 N -2.92 0.00 0.23 1.62 4.13 -0.77 -4.75 115.26 112.81 1x1y n ASN 65 Ca -0.08 0.00 0.14 0.00 1.68 0.00 0.00 54.58 56.32 1x1y n ASN 65 Cb 0.60 -1.39 0.79 0.00 -1.54 0.00 0.00 39.78 38.24 1x1y n ASN 65 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1x1y h GLY 66 N 0.00 0.00 1.44 7.41 0.00 -1.58 0.85 103.07 111.19 1x1y h GLY 66 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1x1y h GLY 66 CO 0.00 0.00 0.34 0.00 0.00 0.00 0.00 176.54 176.88 1x1y h ALA 67 N 1.91 1.55 -0.40 3.60 0.00 -1.83 -2.21 119.26 121.88 1x1y h ALA 67 Ca 0.05 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1x1y h ALA 67 Cb 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1x1y h ALA 67 CO -0.00 0.40 -0.17 1.49 0.00 0.00 0.00 179.25 180.96 1x1y h GLU 68 N 0.77 0.82 -0.32 0.00 4.57 -1.20 -2.03 114.58 117.19 1x1y h GLU 68 Ca 0.20 -0.35 -0.05 0.00 -1.18 0.00 0.00 59.36 57.98 1x1y h GLU 68 Cb -0.04 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 1x1y h GLU 68 CO -0.04 0.98 -0.01 0.66 -1.18 0.00 0.00 179.01 179.42 1x1y h SER 69 N 0.63 0.46 -0.23 1.04 4.64 -1.36 0.01 113.55 118.74 1x1y h SER 69 Ca 0.09 -0.08 -0.09 0.00 -0.47 0.00 0.00 61.79 61.24 1x1y h SER 69 Cb 0.72 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1x1y h SER 69 CO 0.05 0.53 -0.19 0.58 -0.87 0.00 0.00 176.83 176.94 1x1y h VAL 70 N 0.47 1.32 -0.99 0.95 2.07 -1.26 -2.66 116.25 116.15 1x1y h VAL 70 Ca 0.10 -1.33 0.03 0.00 0.82 0.00 0.00 66.70 66.32 1x1y h VAL 70 Cb 0.32 1.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 1x1y h VAL 70 CO 0.01 0.41 0.65 0.25 0.02 0.00 0.00 177.57 178.91 1x1y h LEU 71 N 0.23 1.10 -0.71 2.57 5.85 -0.93 -2.22 115.31 121.21 1x1y h LEU 71 Ca 0.04 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.81 1x1y h LEU 71 Cb 0.73 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.43 1x1y h LEU 71 CO 0.05 0.77 0.39 -0.61 -0.34 0.00 0.00 178.44 178.70 1x1y h GLN 72 N 1.29 0.68 -0.35 1.25 5.75 -0.82 0.05 115.11 122.96 1x1y h GLN 72 Ca 0.38 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.84 1x1y h GLN 72 Cb -0.06 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.32 1x1y h GLN 72 CO -0.11 0.45 0.22 0.28 -2.65 0.00 0.00 178.83 177.02 1x1y h VAL 73 N 0.70 1.11 -0.62 2.39 2.07 -1.06 0.18 116.25 121.02 1x1y h VAL 73 Ca 0.33 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.64 1x1y h VAL 73 Cb 0.24 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1x1y h VAL 73 CO -0.21 0.11 0.38 -0.26 0.02 0.00 0.00 177.57 177.61 1x1y h PHE 74 N 0.46 0.70 -0.24 1.57 0.04 -1.10 -0.11 116.94 118.26 1x1y h PHE 74 Ca 0.13 0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.81 1x1y h PHE 74 Cb -0.02 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 37.89 1x1y h PHE 74 CO -0.04 0.40 -0.29 0.00 -0.60 0.00 0.00 178.31 177.78 1x1y h ARG 75 N 0.74 0.48 -0.09 1.51 3.08 -0.49 -2.10 114.38 117.51 1x1y h ARG 75 Ca 0.25 -0.20 -0.15 0.00 0.07 0.00 0.00 59.98 59.96 1x1y h ARG 75 Cb 0.03 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1x1y h ARG 75 CO -0.11 0.73 -0.59 0.93 -1.07 0.00 0.00 179.97 179.86 1x1y h GLU 76 N 0.42 0.31 -0.36 0.04 5.08 -0.14 -1.06 114.58 118.87 1x1y h GLU 76 Ca 0.06 -0.21 -0.12 0.00 -1.00 0.00 0.00 59.36 58.10 1x1y h GLU 76 Cb 0.72 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1x1y h GLU 76 CO 0.06 0.81 -0.25 0.00 -1.00 0.00 0.00 179.01 178.63 1x1y h ALA 77 N 1.15 0.89 -0.25 3.43 0.00 -0.77 -2.34 119.26 121.37 1x1y h ALA 77 Ca -0.00 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 1x1y h ALA 77 Cb 1.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1x1y h ALA 77 CO 0.10 0.63 -0.14 -0.22 0.00 0.00 0.00 179.25 179.61 1x1y h LYS 78 N 0.63 0.53 -0.78 0.00 3.11 -1.22 -0.61 116.57 118.23 1x1y h LYS 78 Ca 0.08 -0.24 0.20 0.00 -2.81 0.00 0.00 60.65 57.89 1x1y h LYS 78 Cb 0.75 -0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.92 1x1y h LYS 78 CO 0.06 0.80 0.54 0.00 -2.81 0.00 0.00 179.45 178.04 1x1y h ALA 79 N 0.72 2.47 -0.12 5.00 0.00 -0.93 0.66 119.26 127.06 1x1y h ALA 79 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1x1y h ALA 79 Cb 0.65 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1x1y h ALA 79 CO 0.04 -0.70 0.00 0.39 0.00 0.00 0.00 179.25 178.98 1x1y n GLU 80 N -4.40 1.88 0.00 0.00 1.02 -0.90 -4.93 120.64 113.31 1x1y n GLU 80 Ca 0.16 -1.31 0.00 0.00 -0.02 0.00 0.00 57.16 55.99 1x1y n GLU 80 Cb 0.73 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 1x1y n GLU 80 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x1y n GLY 81 N 1.22 1.53 3.70 0.62 0.00 0.22 -5.09 105.19 107.40 1x1y n GLY 81 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1x1y n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x1y s ALA 82 N -1.56 3.74 -1.18 4.61 0.00 -0.26 -4.85 121.76 122.27 1x1y s ALA 82 Ca 0.00 1.31 -0.21 0.00 0.00 0.00 0.00 51.96 53.07 1x1y s ALA 82 Cb 0.00 -3.68 0.01 0.00 0.00 0.00 0.00 23.12 19.45 1x1y s ALA 82 CO 0.00 -1.00 1.78 0.34 0.00 0.00 0.00 175.76 176.88 1x1y s ASP 83 N 1.95 6.04 -0.09 0.00 3.68 -1.26 -4.26 116.67 122.72 1x1y s ASP 83 Ca 0.73 -1.86 0.03 0.00 2.13 0.00 0.00 52.55 53.58 1x1y s ASP 83 Cb -0.42 -2.58 0.01 0.00 -1.45 0.00 0.00 42.92 38.48 1x1y s ASP 83 CO 0.32 -1.99 -0.18 -0.63 0.13 0.00 0.00 175.17 172.83 1x1y s ILE 84 N 7.09 1.62 -0.20 4.11 1.01 -1.26 -1.36 121.20 132.21 1x1y s ILE 84 Ca 0.59 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 60.44 1x1y s ILE 84 Cb 0.01 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 1x1y s ILE 84 CO 0.06 0.46 0.00 -0.89 0.00 0.00 0.00 174.94 174.57 1x1y s THR 85 N 0.66 4.00 -0.16 2.92 2.01 0.29 -4.94 115.64 120.41 1x1y s THR 85 Ca -0.13 -0.30 -0.04 0.00 0.31 0.00 0.00 61.69 61.52 1x1y s THR 85 Cb -0.16 -2.80 -0.03 0.00 0.01 0.00 0.00 72.50 69.52 1x1y s THR 85 CO 0.04 0.43 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.75 1x1y s ILE 86 N 0.92 4.03 -0.27 1.82 1.01 -1.26 -0.59 121.20 126.85 1x1y s ILE 86 Ca 0.01 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.37 1x1y s ILE 86 Cb -0.14 -2.77 0.06 0.00 0.01 0.00 0.00 42.46 39.61 1x1y s ILE 86 CO 0.02 0.49 -0.08 -0.63 0.00 0.00 0.00 174.94 174.74 1x1y s ILE 87 N 0.35 2.42 -0.53 2.92 1.01 0.71 -4.97 121.20 123.12 1x1y s ILE 87 Ca -0.03 -1.54 -0.17 0.00 0.00 0.00 0.00 60.65 58.92 1x1y s ILE 87 Cb -0.14 -2.40 0.10 0.00 0.01 0.00 0.00 42.46 40.03 1x1y s ILE 87 CO 0.03 -0.03 0.53 -0.76 0.00 0.00 0.00 174.94 174.70 1x1y s LEU 88 N 1.15 5.75 0.00 2.97 1.43 -1.26 -0.26 118.68 128.46 1x1y s LEU 88 Ca -0.07 -1.50 0.07 0.00 -1.03 0.00 0.00 54.13 51.60 1x1y s LEU 88 Cb -0.20 -2.25 0.05 0.00 0.03 0.00 0.00 46.19 43.83 1x1y s LEU 88 CO -0.04 -0.86 0.72 -1.54 0.23 0.00 0.00 176.35 174.86